SCHEMBL10311570

SCHEMBL10311570

[CH2+][CH-]CCCCC1CCC(c2ccc(CCc3ccc(OCCCCOC4CCC(CCCCC)CC4)cc3)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.35
ITGA2B P08514 6/20 0.35
CNR2 P34972 7/20 0.34
FFAR4 Q5NUL3 1/20 0.33
HTR2A P28223 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
PPARG P37231 2/20 0.32
ITGAV P06756 1/20 0.32
CHRM2 P08172 1/20 0.32
SLC6A4 P31645 1/20 0.32
PPARA Q07869 1/20 0.32
CNR1 P21554 4/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13402105 0.92 CNR2 (0.37) ITGB3ITGA2BCNR2FFAR4HTR2A
SCHEMBL13402097 0.90 ITGB3 (0.35) ITGB3ITGA2BCNR2FFAR4HTR2A
SCHEMBL10311556 0.86 ITGB3 (0.34) ITGB3ITGA2BCNR2FFAR4HTR2A
SCHEMBL10311541 0.80 KDM5A (0.30)
SCHEMBL9399567 0.79 SPHK1 (0.49) ITGB3ITGA2BHTR2A
SCHEMBL8747945 0.78 SPHK1 (0.39) FFAR4
SCHEMBL9398834 0.77 SPHK1 (0.40) ITGB3ITGA2BPPARGPPARA
SCHEMBL10311609 0.77 RARA (0.37) FFAR4RARARARB
SCHEMBL11957133 0.77 HRH3 (0.37)
SCHEMBL8748080 0.77 SPHK1 (0.40) FFAR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420764-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2013-04-16 US disclosed
US-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20120178894-A1 COMPOUND HAVING SILSESQUIOXANE SKELETON AND ITS POLYMER INAGAKI JYUN-ICHI (JP) 2012-07-12 US disclosed
US-20100240855-A1 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2010-09-23 US disclosed